[5-chloro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-(4-fluorophenyl)methanone

C23H17ClF2N2O — CID 134125547

IUPAC[5-chloro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-(4-fluorophenyl)methanone
SMILESCC1C/C(=N\c2ccc(F)cc2)c2c(Cl)cccc2N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C23H17ClF2N2O/c1-14-13-20(27-18-11-9-17(26)10-12-18)22-19(24)3-2-4-21(22)28(14)23(29)15-5-7-16(25)8-6-15/h2-12,14H,13H2,1H3/b27-20+
InChIKeyGZNACYZBHPJEFS-NHFJDJAPSA-N
MW410.85 g/mol
LogP6.18
Rot. Bonds2

About [5-chloro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-(4-fluorophenyl)methanone

[5-chloro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 134125547) has the molecular formula C23H17ClF2N2O and a molecular weight of 410.85 g/mol. Its IUPAC name is [5-chloro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[5-chloro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-(4-fluorophenyl)methanone
PubChem CID134125547
Molecular FormulaC23H17ClF2N2O
Molecular Weight410.85 g/mol
Exact Mass410.10
IUPAC Name[5-chloro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-(4-fluorophenyl)methanone
SMILESCC1C/C(=N\c2ccc(F)cc2)c2c(Cl)cccc2N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C23H17ClF2N2O/c1-14-13-20(27-18-11-9-17(26)10-12-18)22-19(24)3-2-4-21(22)28(14)23(29)15-5-7-16(25)8-6-15/h2-12,14H,13H2,1H3/b27-20+
InChIKeyGZNACYZBHPJEFS-NHFJDJAPSA-N
XLogP6.18
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.85
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(3,5-dichlorophenyl)-[4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]methanone
CID 134090751
(3,4-dichlorophenyl)-[4-(4-fluorophenyl)imino-2-methyl-6-methylsulfanyl-2,3-dihydroquinolin-1-yl]methanone
CID 134096239
[6-fluoro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-pyridin-4-ylmethanone
CID 171984661
[6-fluoro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-(4-nitrophenyl)methanone
CID 134094161
8-chloro-1-(4-fluorobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one
CID 134125548
[(2S,4R)-4-amino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone
CID 68923463
(3S)-1-[(2,6-dichlorophenyl)methyl]-4-(4-fluorobenzoyl)-3-methyl-3H-quinoxalin-2-one
CID 1474219
1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 69401406
(3,5-dichloro-4-hydroxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 11702524
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
1-(2-chlorobenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one
CID 134094154
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone
CID 26910929

Frequently Asked Questions

What is the IUPAC name of [5-chloro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [5-chloro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-(4-fluorophenyl)methanone (CID 134125547) is [5-chloro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [5-chloro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [5-chloro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-(4-fluorophenyl)methanone is CC1C/C(=N\c2ccc(F)cc2)c2c(Cl)cccc2N1C(=O)c1ccc(F)cc1.
What is the InChIKey of [5-chloro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is GZNACYZBHPJEFS-NHFJDJAPSA-N. The full InChI is InChI=1S/C23H17ClF2N2O/c1-14-13-20(27-18-11-9-17(26)10-12-18)22-19(24)3-2-4-21(22)28(14)23(29)15-5-7-16(25)8-6-15/h2-12,14H,13H2,1H3/b27-20+.
What are the key properties of [5-chloro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-(4-fluorophenyl)methanone?
[5-chloro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 410.85 g/mol, XLogP of 6.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 134125547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).